
 FASDKYOPVNHBLU-UHFFFAOYSA-N

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.4820    3.7246   -1.1597 C   0  0  0  0  0
    1.5243    2.6237   -1.0352 C   0  0  0  0  0
    2.8567    3.1755   -0.5263 C   0  0  0  0  0
    3.8160    2.0802   -0.3833 N   0  0  0  0  0
    5.1681    2.5341   -0.0086 C   0  0  0  0  0
    6.1645    1.3675   -0.2478 C   0  0  0  0  0
    5.9407    0.1632    0.6872 C   0  0  0  0  0
    5.6729    0.6091    2.0841 C   0  0  0  0  0
    5.3556    1.9094    2.4130 C   0  0  0  0  0
    5.2898    3.0508    1.4558 C   0  0  0  0  0
    5.0858    2.0424    4.0866 S   0  0  0  0  0
    5.3971    0.3565    4.2514 C   0  0  0  0  0
    5.6950   -0.2758    3.1411 N   0  0  0  0  0
    5.3530   -0.2468    5.4501 N   0  0  0  0  0
   -0.4624    3.3129   -1.5299 H   0  0  0  0  0
    0.8117    4.5010   -1.8579 H   0  0  0  0  0
    0.2902    4.1938   -0.1896 H   0  0  0  0  0
    1.6638    2.1491   -2.0138 H   0  0  0  0  0
    1.1470    1.8534   -0.3513 H   0  0  0  0  0
    2.6932    3.6769    0.4336 H   0  0  0  0  0
    3.2340    3.9187   -1.2387 H   0  0  0  0  0
    3.4651    1.4144    0.3077 H   0  0  0  0  0
    5.4556    3.3499   -0.6848 H   0  0  0  0  0
    7.1825    1.7498   -0.0921 H   0  0  0  0  0
    6.1196    1.0312   -1.2910 H   0  0  0  0  0
    6.8207   -0.4892    0.6615 H   0  0  0  0  0
    5.0876   -0.4284    0.3348 H   0  0  0  0  0
    4.4747    3.7355    1.7092 H   0  0  0  0  0
    6.2209    3.6264    1.5432 H   0  0  0  0  0
    5.8121   -1.1497    5.4946 H   0  0  0  0  0
    5.4789    0.3286    6.2719 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
M  END

>  <Chemical Name>
FASDKYOPVNHBLU-UHFFFAOYSA-N

>  <PubChem CID>
4885

>  <Formula>
C10H17N3S

>  <Molecular Weight>
211.327000

>  <IUPAC Name>
6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCNC1CCC2=C(C1)SC(=N2)N

>  <Isomeric SMILES>
CCCNC1CCC2=C(C1)SC(=N2)N

>  <InChI Std. ID>
InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)

>  <InChI Key>
FASDKYOPVNHBLU-UHFFFAOYSA-N

